2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide

C17H19ClN2OS — CID 124754655

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide
SMILESCC[C@H](NC(=O)CSc1ccc(Cl)cc1)c1cc(C)ccn1
InChIInChI=1S/C17H19ClN2OS/c1-3-15(16-10-12(2)8-9-19-16)20-17(21)11-22-14-6-4-13(18)5-7-14/h4-10,15H,3,11H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyONGVDTVNLPUAQY-HNNXBMFYSA-N
MW334.87 g/mol
LogP4.40
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide (PubChem CID 124754655) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide
PubChem CID124754655
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide
SMILESCC[C@H](NC(=O)CSc1ccc(Cl)cc1)c1cc(C)ccn1
InChIInChI=1S/C17H19ClN2OS/c1-3-15(16-10-12(2)8-9-19-16)20-17(21)11-22-14-6-4-13(18)5-7-14/h4-10,15H,3,11H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyONGVDTVNLPUAQY-HNNXBMFYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132652855
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
2-(4-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390409
2-(2-methoxyethoxy)-N-[1-(4-methyl-2-pyridinyl)propyl]acetamide
CID 118784285
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 99130682
2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7737232
2-fluoro-4-hydroxy-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]benzamide
CID 125446545
2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
CID 43905510
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 7816591
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide
CID 55541824
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide (CID 124754655) is 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide is CC[C@H](NC(=O)CSc1ccc(Cl)cc1)c1cc(C)ccn1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide?
The InChIKey is ONGVDTVNLPUAQY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-3-15(16-10-12(2)8-9-19-16)20-17(21)11-22-14-6-4-13(18)5-7-14/h4-10,15H,3,11H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide has a molecular weight of 334.87 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide is sourced from PubChem (CID 124754655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).